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CHEBI:149594 - N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) (2+)

ChEBI IDCHEBI:149594
ChEBI NameN1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) (2+)
Stars
ASCII NameN(1)-(3,4-dihydroxybenzoyl)-N(8),N'(8)-citryl-bis(spermidine) (2+)
DefinitionMajor species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H48N6O8
Net Charge+2
Average Mass584.715
Monoisotopic Mass584.35227
SMILES[NH3+]CCC[NH2+]CCCCNC(=O)CC(O)(CC(=O)NCCCC[NH2+]CCCNC(=O)c1ccc(O)c(O)c1)C(=O)[O-]
InChIInChI=1S/C27H46N6O8/c28-9-5-12-29-10-1-3-14-31-23(36)18-27(41,26(39)40)19-24(37)32-15-4-2-11-30-13-6-16-33-25(38)20-7-8-21(34)22(35)17-20/h7-8,17,29-30,34-35,41H,1-6,9-16,18-19,28H2,(H,31,36)(H,32,37)(H,33,38)(H,39,40)/p+2
InChIKeyWFTUITCRVHXYNE-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine) (2+) (CHEBI:149594) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine)UniProt
Manual XrefsDatabases
CPD-11481MetaCyc
Citations